2-(2,2-difluorobutoxy)oxane

C9H16F2O2 — CID 121276570

IUPAC2-(2,2-difluorobutoxy)oxane
SMILESCCC(F)(F)COC1CCCCO1
InChIInChI=1S/C9H16F2O2/c1-2-9(10,11)7-13-8-5-3-4-6-12-8/h8H,2-7H2,1H3
InChIKeyMHQHTGLHOLLTLT-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,2-difluorobutoxy)oxane

2-(2,2-difluorobutoxy)oxane (PubChem CID 121276570) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(2,2-difluorobutoxy)oxane.

Molecular Properties

Compound Name2-(2,2-difluorobutoxy)oxane
PubChem CID121276570
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name2-(2,2-difluorobutoxy)oxane
SMILESCCC(F)(F)COC1CCCCO1
InChIInChI=1S/C9H16F2O2/c1-2-9(10,11)7-13-8-5-3-4-6-12-8/h8H,2-7H2,1H3
InChIKeyMHQHTGLHOLLTLT-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Diethoxytetrahydropyran
CID 261532
2-Butoxyoxane
CID 263176
2H-Pyran, tetrahydro-2-(2,2,2-trifluoroethoxy)-
CID 543322
2-Pentoxy-tetrahydropyran
CID 559026
2-Propoxy-tetrahydropyran
CID 522184
2-(4-Fluorobutoxy)oxane
CID 59512815
2,6-Dibutoxy-tetrahydropyran
CID 524396
2-(2',2',3',3'-Tetradeuteropentanyloxy)tetrahydropyran
CID 12541015
(2R)-2-(2,2,2-trifluoroethoxy)oxane
CID 15939308
3-Fluoro-2-methoxyoxane
CID 13467884
(2R,3S)-3-fluoro-2-methoxyoxane
CID 13467885
(2R,3R)-3-fluoro-2-methoxyoxane
CID 13467886

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorobutoxy)oxane?
The IUPAC name of 2-(2,2-difluorobutoxy)oxane (CID 121276570) is 2-(2,2-difluorobutoxy)oxane.
What is the SMILES notation for 2-(2,2-difluorobutoxy)oxane?
The canonical SMILES for 2-(2,2-difluorobutoxy)oxane is CCC(F)(F)COC1CCCCO1.
What is the InChIKey of 2-(2,2-difluorobutoxy)oxane?
The InChIKey is MHQHTGLHOLLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-2-9(10,11)7-13-8-5-3-4-6-12-8/h8H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluorobutoxy)oxane?
2-(2,2-difluorobutoxy)oxane has a molecular weight of 194.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorobutoxy)oxane is sourced from PubChem (CID 121276570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).